Journal of Chemical Physics, Vol.107, No.8, 2813-2818, 1997
Explicit expressions for triatomic Eckart frames in Jacobi, Radau, and bond coordinates
For triatomic molecules we derive expressions to relate any Eckart axis system with two axes in the molecular plane to simple molecule-fixed axis systems commonly used to derive kinetic energy operators. We express the orientation of an Eckart axis system in terms of Jacobi, Radau or bond coordinates. (C) 1997 American Institute of Physics.